USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 182 THR OG1 : rot 180:sc= -0.296 USER MOD Set 1.2: A 195 GLN : amide:sc= -0.0131 X(o=-0.31,f=-0.45) USER MOD Set 2.1: A 157 LYS NZ :NH3+ 145:sc= -0.324 (180deg=-0.706) USER MOD Set 2.2: A 186 LYS NZ :NH3+ -142:sc= -0.0122 (180deg=0) USER MOD Single : A 153 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 154 MET CE :methyl -130:sc= -4.37! (180deg=-7.3!) USER MOD Single : A 156 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 GLN : amide:sc= -0.479 K(o=-0.48,f=-1.2) USER MOD Single : A 166 ASN : amide:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 168 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 170 SER OG : rot 180:sc= 0 USER MOD Single : A 176 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 185 ASN : amide:sc= 0.43 K(o=0.43,f=-0.19) USER MOD Single : A 190 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 197 ASN : amide:sc= 0 X(o=0,f=0.021) USER MOD Single : A 198 ASN : amide:sc= -1.08 X(o=-1.1,f=-1.1) USER MOD Single : A 205 SER OG : rot -172:sc= -0.0635 USER MOD Single : A 206 ASN : amide:sc= -0.421 K(o=-0.42,f=-3.4!) USER MOD Single : A 207 TYR OH : rot 180:sc= 0 USER MOD Single : A 211 TYR OH : rot 180:sc= 0 USER MOD Single : A 212 ASN : amide:sc= -0.908 X(o=-0.91,f=-0.79) USER MOD Single : A 213 SER OG : rot 180:sc= 0 USER MOD Single : A 214 ASN : amide:sc= -0.472 X(o=-0.47,f=-0.8) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 153 -21.419 7.343 -3.654 1.00 0.00 N ATOM 2 CA HIS A 153 -20.485 6.206 -3.436 1.00 0.00 C ATOM 3 C HIS A 153 -19.043 6.690 -3.317 1.00 0.00 C ATOM 4 O HIS A 153 -18.466 7.192 -4.282 1.00 0.00 O ATOM 5 CB HIS A 153 -20.620 5.232 -4.609 1.00 0.00 C ATOM 6 CG HIS A 153 -21.694 4.207 -4.415 1.00 0.00 C ATOM 7 ND1 HIS A 153 -22.946 4.311 -4.981 1.00 0.00 N ATOM 8 CD2 HIS A 153 -21.695 3.047 -3.713 1.00 0.00 C ATOM 9 CE1 HIS A 153 -23.672 3.263 -4.636 1.00 0.00 C ATOM 10 NE2 HIS A 153 -22.937 2.482 -3.868 1.00 0.00 N ATOM 0 HA HIS A 153 -20.741 5.707 -2.501 1.00 0.00 H new ATOM 0 HB2 HIS A 153 -20.828 5.797 -5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 153 -19.667 4.724 -4.760 1.00 0.00 H new ATOM 0 HD2 HIS A 153 -20.874 2.643 -3.140 1.00 0.00 H new ATOM 0 HE1 HIS A 153 -24.694 3.077 -4.932 1.00 0.00 H new ATOM 0 HE2 HIS A 153 -23.242 1.600 -3.456 1.00 0.00 H new ATOM 21 N MET A 154 -18.470 6.540 -2.128 1.00 0.00 N ATOM 22 CA MET A 154 -17.097 6.963 -1.884 1.00 0.00 C ATOM 23 C MET A 154 -16.127 6.220 -2.798 1.00 0.00 C ATOM 24 O MET A 154 -16.539 5.421 -3.639 1.00 0.00 O ATOM 25 CB MET A 154 -16.720 6.723 -0.420 1.00 0.00 C ATOM 26 CG MET A 154 -17.110 7.865 0.504 1.00 0.00 C ATOM 27 SD MET A 154 -18.869 8.254 0.421 1.00 0.00 S ATOM 28 CE MET A 154 -18.919 9.284 -1.042 1.00 0.00 C ATOM 0 H MET A 154 -18.935 6.129 -1.319 1.00 0.00 H new ATOM 0 HA MET A 154 -17.028 8.029 -2.101 1.00 0.00 H new ATOM 0 HB2 MET A 154 -17.201 5.807 -0.075 1.00 0.00 H new ATOM 0 HB3 MET A 154 -15.644 6.563 -0.352 1.00 0.00 H new ATOM 0 HG2 MET A 154 -16.847 7.604 1.529 1.00 0.00 H new ATOM 0 HG3 MET A 154 -16.533 8.752 0.243 1.00 0.00 H new ATOM 0 HE1 MET A 154 -19.461 10.203 -0.821 1.00 0.00 H new ATOM 0 HE2 MET A 154 -17.902 9.528 -1.350 1.00 0.00 H new ATOM 0 HE3 MET A 154 -19.424 8.749 -1.846 1.00 0.00 H new ATOM 38 N GLU A 155 -14.837 6.491 -2.628 1.00 0.00 N ATOM 39 CA GLU A 155 -13.809 5.850 -3.440 1.00 0.00 C ATOM 40 C GLU A 155 -12.452 5.908 -2.745 1.00 0.00 C ATOM 41 O GLU A 155 -12.048 6.954 -2.239 1.00 0.00 O ATOM 42 CB GLU A 155 -13.721 6.518 -4.812 1.00 0.00 C ATOM 43 CG GLU A 155 -13.288 7.973 -4.754 1.00 0.00 C ATOM 44 CD GLU A 155 -13.531 8.707 -6.058 1.00 0.00 C ATOM 45 OE1 GLU A 155 -13.505 8.053 -7.120 1.00 0.00 O ATOM 46 OE2 GLU A 155 -13.748 9.936 -6.016 1.00 0.00 O ATOM 0 H GLU A 155 -14.479 7.149 -1.936 1.00 0.00 H new ATOM 0 HA GLU A 155 -14.086 4.804 -3.571 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -13.018 5.963 -5.433 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -14.694 6.456 -5.300 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -13.827 8.477 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -12.228 8.023 -4.506 1.00 0.00 H new ATOM 53 N THR A 156 -11.756 4.777 -2.723 1.00 0.00 N ATOM 54 CA THR A 156 -10.446 4.698 -2.090 1.00 0.00 C ATOM 55 C THR A 156 -9.340 5.065 -3.075 1.00 0.00 C ATOM 56 O THR A 156 -9.560 5.096 -4.287 1.00 0.00 O ATOM 57 CB THR A 156 -10.211 3.296 -1.545 1.00 0.00 C ATOM 58 OG1 THR A 156 -11.438 2.673 -1.209 1.00 0.00 O ATOM 59 CG2 THR A 156 -9.327 3.270 -0.316 1.00 0.00 C ATOM 0 H THR A 156 -12.078 3.902 -3.137 1.00 0.00 H new ATOM 0 HA THR A 156 -10.423 5.412 -1.267 1.00 0.00 H new ATOM 0 HB THR A 156 -9.705 2.758 -2.346 1.00 0.00 H new ATOM 0 HG1 THR A 156 -11.264 1.773 -0.863 1.00 0.00 H new ATOM 0 HG21 THR A 156 -9.201 2.241 0.020 1.00 0.00 H new ATOM 0 HG22 THR A 156 -8.353 3.694 -0.559 1.00 0.00 H new ATOM 0 HG23 THR A 156 -9.790 3.856 0.478 1.00 0.00 H new ATOM 67 N LYS A 157 -8.153 5.343 -2.547 1.00 0.00 N ATOM 68 CA LYS A 157 -7.013 5.709 -3.382 1.00 0.00 C ATOM 69 C LYS A 157 -6.221 4.472 -3.793 1.00 0.00 C ATOM 70 O LYS A 157 -6.017 3.558 -2.992 1.00 0.00 O ATOM 71 CB LYS A 157 -6.103 6.687 -2.635 1.00 0.00 C ATOM 72 CG LYS A 157 -5.478 7.742 -3.534 1.00 0.00 C ATOM 73 CD LYS A 157 -4.614 8.708 -2.741 1.00 0.00 C ATOM 74 CE LYS A 157 -3.142 8.341 -2.834 1.00 0.00 C ATOM 75 NZ LYS A 157 -2.272 9.548 -2.913 1.00 0.00 N ATOM 0 H LYS A 157 -7.955 5.322 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 157 -7.392 6.191 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 157 -6.679 7.182 -1.853 1.00 0.00 H new ATOM 0 HB3 LYS A 157 -5.310 6.127 -2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 157 -4.874 7.257 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 157 -6.264 8.294 -4.050 1.00 0.00 H new ATOM 0 HD2 LYS A 157 -4.762 9.721 -3.114 1.00 0.00 H new ATOM 0 HD3 LYS A 157 -4.926 8.704 -1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 157 -2.860 7.747 -1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 157 -2.978 7.717 -3.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 157 -1.382 9.368 -2.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 157 -2.066 9.763 -3.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 157 -2.760 10.357 -2.478 1.00 0.00 H new ATOM 89 N PHE A 158 -5.778 4.450 -5.044 1.00 0.00 N ATOM 90 CA PHE A 158 -5.008 3.324 -5.563 1.00 0.00 C ATOM 91 C PHE A 158 -3.546 3.709 -5.759 1.00 0.00 C ATOM 92 O PHE A 158 -3.236 4.667 -6.468 1.00 0.00 O ATOM 93 CB PHE A 158 -5.602 2.840 -6.887 1.00 0.00 C ATOM 94 CG PHE A 158 -6.804 1.955 -6.718 1.00 0.00 C ATOM 95 CD1 PHE A 158 -6.688 0.715 -6.113 1.00 0.00 C ATOM 96 CD2 PHE A 158 -8.050 2.365 -7.166 1.00 0.00 C ATOM 97 CE1 PHE A 158 -7.791 -0.101 -5.957 1.00 0.00 C ATOM 98 CE2 PHE A 158 -9.158 1.554 -7.013 1.00 0.00 C ATOM 99 CZ PHE A 158 -9.028 0.318 -6.407 1.00 0.00 C ATOM 0 H PHE A 158 -5.938 5.198 -5.719 1.00 0.00 H new ATOM 0 HA PHE A 158 -5.057 2.516 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 158 -5.880 3.705 -7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 158 -4.837 2.298 -7.442 1.00 0.00 H new ATOM 0 HD1 PHE A 158 -5.724 0.382 -5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 158 -8.156 3.330 -7.640 1.00 0.00 H new ATOM 0 HE1 PHE A 158 -7.687 -1.066 -5.484 1.00 0.00 H new ATOM 0 HE2 PHE A 158 -10.124 1.885 -7.366 1.00 0.00 H new ATOM 0 HZ PHE A 158 -9.892 -0.319 -6.286 1.00 0.00 H new ATOM 109 N VAL A 159 -2.651 2.960 -5.125 1.00 0.00 N ATOM 110 CA VAL A 159 -1.222 3.224 -5.232 1.00 0.00 C ATOM 111 C VAL A 159 -0.510 2.103 -5.984 1.00 0.00 C ATOM 112 O VAL A 159 -0.934 0.950 -5.944 1.00 0.00 O ATOM 113 CB VAL A 159 -0.573 3.385 -3.843 1.00 0.00 C ATOM 114 CG1 VAL A 159 -1.148 4.597 -3.126 1.00 0.00 C ATOM 115 CG2 VAL A 159 -0.765 2.128 -3.011 1.00 0.00 C ATOM 0 H VAL A 159 -2.890 2.165 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 159 -1.115 4.157 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 159 0.497 3.541 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 159 -0.679 4.697 -2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 159 -0.954 5.494 -3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 159 -2.224 4.470 -3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 159 -0.299 2.263 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 159 -1.830 1.937 -2.882 1.00 0.00 H new ATOM 0 HG23 VAL A 159 -0.303 1.281 -3.519 1.00 0.00 H new ATOM 125 N GLN A 160 0.575 2.454 -6.668 1.00 0.00 N ATOM 126 CA GLN A 160 1.345 1.477 -7.427 1.00 0.00 C ATOM 127 C GLN A 160 2.700 1.226 -6.776 1.00 0.00 C ATOM 128 O GLN A 160 3.549 2.116 -6.718 1.00 0.00 O ATOM 129 CB GLN A 160 1.538 1.957 -8.867 1.00 0.00 C ATOM 130 CG GLN A 160 1.498 0.838 -9.893 1.00 0.00 C ATOM 131 CD GLN A 160 2.502 1.034 -11.011 1.00 0.00 C ATOM 132 OE1 GLN A 160 3.625 1.484 -10.782 1.00 0.00 O ATOM 133 NE2 GLN A 160 2.103 0.698 -12.233 1.00 0.00 N ATOM 0 H GLN A 160 0.939 3.406 -6.712 1.00 0.00 H new ATOM 0 HA GLN A 160 0.788 0.540 -7.435 1.00 0.00 H new ATOM 0 HB2 GLN A 160 0.762 2.685 -9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 160 2.494 2.474 -8.943 1.00 0.00 H new ATOM 0 HG2 GLN A 160 1.694 -0.112 -9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 160 0.496 0.775 -10.317 1.00 0.00 H new ATOM 0 HE21 GLN A 160 1.164 0.329 -12.379 1.00 0.00 H new ATOM 0 HE22 GLN A 160 2.736 0.809 -13.025 1.00 0.00 H new ATOM 142 N ALA A 161 2.893 0.011 -6.281 1.00 0.00 N ATOM 143 CA ALA A 161 4.139 -0.364 -5.625 1.00 0.00 C ATOM 144 C ALA A 161 5.303 -0.382 -6.607 1.00 0.00 C ATOM 145 O ALA A 161 5.113 -0.577 -7.809 1.00 0.00 O ATOM 146 CB ALA A 161 3.991 -1.724 -4.960 1.00 0.00 C ATOM 0 H ALA A 161 2.199 -0.735 -6.322 1.00 0.00 H new ATOM 0 HA ALA A 161 4.356 0.386 -4.864 1.00 0.00 H new ATOM 0 HB1 ALA A 161 4.928 -1.995 -4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 161 3.195 -1.681 -4.217 1.00 0.00 H new ATOM 0 HB3 ALA A 161 3.744 -2.472 -5.713 1.00 0.00 H new ATOM 152 N LEU A 162 6.510 -0.190 -6.086 1.00 0.00 N ATOM 153 CA LEU A 162 7.711 -0.199 -6.915 1.00 0.00 C ATOM 154 C LEU A 162 8.671 -1.292 -6.455 1.00 0.00 C ATOM 155 O LEU A 162 9.884 -1.184 -6.629 1.00 0.00 O ATOM 156 CB LEU A 162 8.409 1.161 -6.877 1.00 0.00 C ATOM 157 CG LEU A 162 8.464 1.820 -5.500 1.00 0.00 C ATOM 158 CD1 LEU A 162 9.903 2.117 -5.102 1.00 0.00 C ATOM 159 CD2 LEU A 162 7.631 3.093 -5.485 1.00 0.00 C ATOM 0 H LEU A 162 6.683 -0.026 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 162 7.409 -0.405 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 162 9.427 1.040 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 162 7.898 1.834 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 162 8.046 1.126 -4.771 1.00 0.00 H new ATOM 0 HD11 LEU A 162 9.919 2.586 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 162 10.471 1.187 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 162 10.351 2.791 -5.832 1.00 0.00 H new ATOM 0 HD21 LEU A 162 7.682 3.549 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 162 8.019 3.791 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 162 6.594 2.852 -5.721 1.00 0.00 H new ATOM 171 N PHE A 163 8.114 -2.347 -5.864 1.00 0.00 N ATOM 172 CA PHE A 163 8.910 -3.465 -5.375 1.00 0.00 C ATOM 173 C PHE A 163 8.012 -4.629 -4.970 1.00 0.00 C ATOM 174 O PHE A 163 6.812 -4.624 -5.246 1.00 0.00 O ATOM 175 CB PHE A 163 9.766 -3.027 -4.184 1.00 0.00 C ATOM 176 CG PHE A 163 11.137 -3.640 -4.172 1.00 0.00 C ATOM 177 CD1 PHE A 163 11.948 -3.576 -5.294 1.00 0.00 C ATOM 178 CD2 PHE A 163 11.614 -4.280 -3.039 1.00 0.00 C ATOM 179 CE1 PHE A 163 13.210 -4.140 -5.285 1.00 0.00 C ATOM 180 CE2 PHE A 163 12.875 -4.845 -3.025 1.00 0.00 C ATOM 181 CZ PHE A 163 13.675 -4.776 -4.150 1.00 0.00 C ATOM 0 H PHE A 163 7.110 -2.449 -5.713 1.00 0.00 H new ATOM 0 HA PHE A 163 9.566 -3.795 -6.181 1.00 0.00 H new ATOM 0 HB2 PHE A 163 9.863 -1.941 -4.196 1.00 0.00 H new ATOM 0 HB3 PHE A 163 9.251 -3.291 -3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 163 11.590 -3.080 -6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 163 10.993 -4.338 -2.157 1.00 0.00 H new ATOM 0 HE1 PHE A 163 13.833 -4.083 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 163 13.235 -5.340 -2.135 1.00 0.00 H new ATOM 0 HZ PHE A 163 14.660 -5.218 -4.142 1.00 0.00 H new ATOM 191 N ASP A 164 8.598 -5.628 -4.317 1.00 0.00 N ATOM 192 CA ASP A 164 7.846 -6.799 -3.877 1.00 0.00 C ATOM 193 C ASP A 164 8.066 -7.057 -2.389 1.00 0.00 C ATOM 194 O ASP A 164 9.203 -7.105 -1.920 1.00 0.00 O ATOM 195 CB ASP A 164 8.256 -8.028 -4.687 1.00 0.00 C ATOM 196 CG ASP A 164 7.703 -8.002 -6.100 1.00 0.00 C ATOM 197 OD1 ASP A 164 8.254 -7.258 -6.938 1.00 0.00 O ATOM 198 OD2 ASP A 164 6.722 -8.725 -6.365 1.00 0.00 O ATOM 0 H ASP A 164 9.590 -5.650 -4.081 1.00 0.00 H new ATOM 0 HA ASP A 164 6.786 -6.604 -4.041 1.00 0.00 H new ATOM 0 HB2 ASP A 164 9.344 -8.087 -4.727 1.00 0.00 H new ATOM 0 HB3 ASP A 164 7.906 -8.927 -4.180 1.00 0.00 H new ATOM 203 N PHE A 165 6.971 -7.226 -1.653 1.00 0.00 N ATOM 204 CA PHE A 165 7.050 -7.481 -0.220 1.00 0.00 C ATOM 205 C PHE A 165 6.164 -8.659 0.174 1.00 0.00 C ATOM 206 O PHE A 165 4.981 -8.700 -0.163 1.00 0.00 O ATOM 207 CB PHE A 165 6.633 -6.236 0.563 1.00 0.00 C ATOM 208 CG PHE A 165 7.010 -6.287 2.017 1.00 0.00 C ATOM 209 CD1 PHE A 165 8.332 -6.142 2.407 1.00 0.00 C ATOM 210 CD2 PHE A 165 6.046 -6.477 2.990 1.00 0.00 C ATOM 211 CE1 PHE A 165 8.684 -6.188 3.742 1.00 0.00 C ATOM 212 CE2 PHE A 165 6.390 -6.524 4.329 1.00 0.00 C ATOM 213 CZ PHE A 165 7.711 -6.379 4.705 1.00 0.00 C ATOM 0 H PHE A 165 6.022 -7.191 -2.025 1.00 0.00 H new ATOM 0 HA PHE A 165 8.084 -7.728 0.022 1.00 0.00 H new ATOM 0 HB2 PHE A 165 7.093 -5.359 0.107 1.00 0.00 H new ATOM 0 HB3 PHE A 165 5.554 -6.109 0.480 1.00 0.00 H new ATOM 0 HD1 PHE A 165 9.096 -5.991 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 165 5.012 -6.590 2.701 1.00 0.00 H new ATOM 0 HE1 PHE A 165 9.718 -6.075 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 165 5.627 -6.674 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 165 7.983 -6.415 5.750 1.00 0.00 H new ATOM 223 N ASN A 166 6.746 -9.614 0.892 1.00 0.00 N ATOM 224 CA ASN A 166 6.014 -10.793 1.336 1.00 0.00 C ATOM 225 C ASN A 166 6.063 -10.923 2.856 1.00 0.00 C ATOM 226 O ASN A 166 6.952 -11.578 3.402 1.00 0.00 O ATOM 227 CB ASN A 166 6.588 -12.053 0.684 1.00 0.00 C ATOM 228 CG ASN A 166 5.622 -13.219 0.731 1.00 0.00 C ATOM 229 OD1 ASN A 166 4.959 -13.533 -0.258 1.00 0.00 O ATOM 230 ND2 ASN A 166 5.537 -13.871 1.885 1.00 0.00 N ATOM 0 H ASN A 166 7.725 -9.594 1.179 1.00 0.00 H new ATOM 0 HA ASN A 166 4.973 -10.679 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 166 6.843 -11.838 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 166 7.513 -12.331 1.189 1.00 0.00 H new ATOM 0 HD21 ASN A 166 4.904 -14.666 1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 166 6.105 -13.577 2.680 1.00 0.00 H new ATOM 237 N PRO A 167 5.106 -10.299 3.563 1.00 0.00 N ATOM 238 CA PRO A 167 5.047 -10.351 5.025 1.00 0.00 C ATOM 239 C PRO A 167 4.545 -11.695 5.539 1.00 0.00 C ATOM 240 O PRO A 167 3.425 -12.107 5.240 1.00 0.00 O ATOM 241 CB PRO A 167 4.059 -9.241 5.375 1.00 0.00 C ATOM 242 CG PRO A 167 3.170 -9.132 4.186 1.00 0.00 C ATOM 243 CD PRO A 167 4.005 -9.498 2.993 1.00 0.00 C ATOM 0 HA PRO A 167 6.030 -10.226 5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 167 3.491 -9.486 6.272 1.00 0.00 H new ATOM 0 HB3 PRO A 167 4.574 -8.301 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 167 2.314 -9.800 4.280 1.00 0.00 H new ATOM 0 HG3 PRO A 167 2.776 -8.120 4.088 1.00 0.00 H new ATOM 0 HD2 PRO A 167 3.431 -10.070 2.264 1.00 0.00 H new ATOM 0 HD3 PRO A 167 4.379 -8.612 2.480 1.00 0.00 H new ATOM 251 N GLN A 168 5.383 -12.372 6.315 1.00 0.00 N ATOM 252 CA GLN A 168 5.029 -13.670 6.875 1.00 0.00 C ATOM 253 C GLN A 168 4.296 -13.509 8.203 1.00 0.00 C ATOM 254 O GLN A 168 3.550 -14.394 8.623 1.00 0.00 O ATOM 255 CB GLN A 168 6.284 -14.524 7.072 1.00 0.00 C ATOM 256 CG GLN A 168 7.401 -13.802 7.807 1.00 0.00 C ATOM 257 CD GLN A 168 8.226 -14.734 8.672 1.00 0.00 C ATOM 258 OE1 GLN A 168 7.780 -15.177 9.730 1.00 0.00 O ATOM 259 NE2 GLN A 168 9.440 -15.038 8.223 1.00 0.00 N ATOM 0 H GLN A 168 6.314 -12.043 6.571 1.00 0.00 H new ATOM 0 HA GLN A 168 4.363 -14.171 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 168 6.018 -15.424 7.626 1.00 0.00 H new ATOM 0 HB3 GLN A 168 6.651 -14.847 6.098 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.052 -13.314 7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 168 6.973 -13.017 8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 168 9.770 -14.648 7.340 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.042 -15.661 8.761 1.00 0.00 H new ATOM 268 N GLU A 169 4.509 -12.373 8.860 1.00 0.00 N ATOM 269 CA GLU A 169 3.868 -12.100 10.141 1.00 0.00 C ATOM 270 C GLU A 169 2.704 -11.129 9.968 1.00 0.00 C ATOM 271 O GLU A 169 2.643 -10.386 8.988 1.00 0.00 O ATOM 272 CB GLU A 169 4.882 -11.524 11.133 1.00 0.00 C ATOM 273 CG GLU A 169 6.218 -12.246 11.124 1.00 0.00 C ATOM 274 CD GLU A 169 7.288 -11.483 10.367 1.00 0.00 C ATOM 275 OE1 GLU A 169 6.953 -10.850 9.345 1.00 0.00 O ATOM 276 OE2 GLU A 169 8.460 -11.521 10.798 1.00 0.00 O ATOM 0 H GLU A 169 5.120 -11.627 8.526 1.00 0.00 H new ATOM 0 HA GLU A 169 3.482 -13.041 10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 169 5.046 -10.471 10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 169 4.461 -11.569 12.137 1.00 0.00 H new ATOM 0 HG2 GLU A 169 6.548 -12.405 12.151 1.00 0.00 H new ATOM 0 HG3 GLU A 169 6.092 -13.231 10.674 1.00 0.00 H new ATOM 283 N SER A 170 1.784 -11.138 10.927 1.00 0.00 N ATOM 284 CA SER A 170 0.626 -10.257 10.880 1.00 0.00 C ATOM 285 C SER A 170 1.001 -8.846 11.317 1.00 0.00 C ATOM 286 O SER A 170 1.501 -8.639 12.423 1.00 0.00 O ATOM 287 CB SER A 170 -0.494 -10.799 11.770 1.00 0.00 C ATOM 288 OG SER A 170 -0.906 -12.087 11.342 1.00 0.00 O ATOM 0 H SER A 170 1.819 -11.746 11.745 1.00 0.00 H new ATOM 0 HA SER A 170 0.272 -10.219 9.850 1.00 0.00 H new ATOM 0 HB2 SER A 170 -0.151 -10.848 12.803 1.00 0.00 H new ATOM 0 HB3 SER A 170 -1.343 -10.116 11.748 1.00 0.00 H new ATOM 0 HG SER A 170 -1.621 -12.413 11.927 1.00 0.00 H new ATOM 294 N GLY A 171 0.759 -7.879 10.440 1.00 0.00 N ATOM 295 CA GLY A 171 1.079 -6.501 10.747 1.00 0.00 C ATOM 296 C GLY A 171 1.471 -5.709 9.514 1.00 0.00 C ATOM 297 O GLY A 171 1.407 -4.481 9.512 1.00 0.00 O ATOM 0 H GLY A 171 0.346 -8.027 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 171 0.219 -6.028 11.221 1.00 0.00 H new ATOM 0 HA3 GLY A 171 1.896 -6.473 11.468 1.00 0.00 H new ATOM 301 N GLU A 172 1.877 -6.415 8.462 1.00 0.00 N ATOM 302 CA GLU A 172 2.280 -5.768 7.218 1.00 0.00 C ATOM 303 C GLU A 172 1.510 -6.342 6.035 1.00 0.00 C ATOM 304 O GLU A 172 1.287 -7.550 5.956 1.00 0.00 O ATOM 305 CB GLU A 172 3.784 -5.931 6.998 1.00 0.00 C ATOM 306 CG GLU A 172 4.613 -4.830 7.638 1.00 0.00 C ATOM 307 CD GLU A 172 6.097 -5.137 7.629 1.00 0.00 C ATOM 308 OE1 GLU A 172 6.525 -6.021 8.402 1.00 0.00 O ATOM 309 OE2 GLU A 172 6.831 -4.493 6.851 1.00 0.00 O ATOM 0 H GLU A 172 1.935 -7.433 8.447 1.00 0.00 H new ATOM 0 HA GLU A 172 2.048 -4.706 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 172 4.100 -6.893 7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 172 3.986 -5.952 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 172 4.436 -3.893 7.109 1.00 0.00 H new ATOM 0 HG3 GLU A 172 4.283 -4.683 8.666 1.00 0.00 H new ATOM 316 N LEU A 173 1.098 -5.470 5.119 1.00 0.00 N ATOM 317 CA LEU A 173 0.346 -5.899 3.947 1.00 0.00 C ATOM 318 C LEU A 173 1.270 -6.543 2.913 1.00 0.00 C ATOM 319 O LEU A 173 2.444 -6.185 2.809 1.00 0.00 O ATOM 320 CB LEU A 173 -0.422 -4.707 3.340 1.00 0.00 C ATOM 321 CG LEU A 173 -0.233 -4.458 1.840 1.00 0.00 C ATOM 322 CD1 LEU A 173 -1.181 -5.333 1.033 1.00 0.00 C ATOM 323 CD2 LEU A 173 -0.457 -2.990 1.514 1.00 0.00 C ATOM 0 H LEU A 173 1.272 -4.466 5.166 1.00 0.00 H new ATOM 0 HA LEU A 173 -0.379 -6.652 4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 173 -1.485 -4.856 3.529 1.00 0.00 H new ATOM 0 HB3 LEU A 173 -0.127 -3.804 3.875 1.00 0.00 H new ATOM 0 HG LEU A 173 0.791 -4.719 1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 173 -1.034 -5.144 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 173 -0.978 -6.382 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 173 -2.211 -5.100 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 173 -0.319 -2.830 0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 173 -1.471 -2.705 1.796 1.00 0.00 H new ATOM 0 HD23 LEU A 173 0.258 -2.381 2.067 1.00 0.00 H new ATOM 335 N ALA A 174 0.731 -7.479 2.141 1.00 0.00 N ATOM 336 CA ALA A 174 1.506 -8.156 1.107 1.00 0.00 C ATOM 337 C ALA A 174 1.250 -7.519 -0.253 1.00 0.00 C ATOM 338 O ALA A 174 0.159 -7.642 -0.812 1.00 0.00 O ATOM 339 CB ALA A 174 1.167 -9.638 1.075 1.00 0.00 C ATOM 0 H ALA A 174 -0.239 -7.787 2.211 1.00 0.00 H new ATOM 0 HA ALA A 174 2.565 -8.050 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 174 1.754 -10.129 0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 174 1.399 -10.085 2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 174 0.105 -9.764 0.862 1.00 0.00 H new ATOM 345 N PHE A 175 2.256 -6.831 -0.783 1.00 0.00 N ATOM 346 CA PHE A 175 2.129 -6.166 -2.073 1.00 0.00 C ATOM 347 C PHE A 175 3.213 -6.625 -3.043 1.00 0.00 C ATOM 348 O PHE A 175 4.192 -7.257 -2.646 1.00 0.00 O ATOM 349 CB PHE A 175 2.207 -4.649 -1.893 1.00 0.00 C ATOM 350 CG PHE A 175 3.406 -4.201 -1.107 1.00 0.00 C ATOM 351 CD1 PHE A 175 3.437 -4.336 0.271 1.00 0.00 C ATOM 352 CD2 PHE A 175 4.502 -3.643 -1.748 1.00 0.00 C ATOM 353 CE1 PHE A 175 4.540 -3.926 0.997 1.00 0.00 C ATOM 354 CE2 PHE A 175 5.607 -3.230 -1.026 1.00 0.00 C ATOM 355 CZ PHE A 175 5.626 -3.372 0.347 1.00 0.00 C ATOM 0 H PHE A 175 3.167 -6.720 -0.339 1.00 0.00 H new ATOM 0 HA PHE A 175 1.159 -6.434 -2.493 1.00 0.00 H new ATOM 0 HB2 PHE A 175 2.228 -4.175 -2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 175 1.303 -4.303 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 175 2.590 -4.766 0.784 1.00 0.00 H new ATOM 0 HD2 PHE A 175 4.493 -3.530 -2.822 1.00 0.00 H new ATOM 0 HE1 PHE A 175 4.553 -4.039 2.071 1.00 0.00 H new ATOM 0 HE2 PHE A 175 6.455 -2.797 -1.536 1.00 0.00 H new ATOM 0 HZ PHE A 175 6.488 -3.051 0.912 1.00 0.00 H new ATOM 365 N LYS A 176 3.028 -6.297 -4.317 1.00 0.00 N ATOM 366 CA LYS A 176 3.986 -6.665 -5.352 1.00 0.00 C ATOM 367 C LYS A 176 4.361 -5.449 -6.193 1.00 0.00 C ATOM 368 O LYS A 176 3.799 -4.367 -6.019 1.00 0.00 O ATOM 369 CB LYS A 176 3.407 -7.763 -6.246 1.00 0.00 C ATOM 370 CG LYS A 176 3.257 -9.103 -5.546 1.00 0.00 C ATOM 371 CD LYS A 176 2.959 -10.218 -6.536 1.00 0.00 C ATOM 372 CE LYS A 176 4.234 -10.811 -7.108 1.00 0.00 C ATOM 373 NZ LYS A 176 4.777 -11.898 -6.248 1.00 0.00 N ATOM 0 H LYS A 176 2.221 -5.775 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 176 4.886 -7.043 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 176 2.432 -7.444 -6.614 1.00 0.00 H new ATOM 0 HB3 LYS A 176 4.051 -7.888 -7.117 1.00 0.00 H new ATOM 0 HG2 LYS A 176 4.172 -9.334 -5.000 1.00 0.00 H new ATOM 0 HG3 LYS A 176 2.454 -9.043 -4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 176 2.383 -11.000 -6.042 1.00 0.00 H new ATOM 0 HD3 LYS A 176 2.341 -9.831 -7.346 1.00 0.00 H new ATOM 0 HE2 LYS A 176 4.036 -11.203 -8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 176 4.982 -10.026 -7.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 176 5.647 -12.276 -6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 176 4.990 -11.519 -5.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 176 4.073 -12.659 -6.165 1.00 0.00 H new ATOM 387 N ARG A 177 5.309 -5.632 -7.103 1.00 0.00 N ATOM 388 CA ARG A 177 5.756 -4.544 -7.967 1.00 0.00 C ATOM 389 C ARG A 177 4.629 -4.077 -8.882 1.00 0.00 C ATOM 390 O ARG A 177 3.953 -4.886 -9.517 1.00 0.00 O ATOM 391 CB ARG A 177 6.958 -4.985 -8.799 1.00 0.00 C ATOM 392 CG ARG A 177 8.187 -4.111 -8.599 1.00 0.00 C ATOM 393 CD ARG A 177 8.993 -3.983 -9.881 1.00 0.00 C ATOM 394 NE ARG A 177 10.089 -4.948 -9.936 1.00 0.00 N ATOM 395 CZ ARG A 177 11.244 -4.796 -9.292 1.00 0.00 C ATOM 396 NH1 ARG A 177 11.458 -3.723 -8.542 1.00 0.00 N ATOM 397 NH2 ARG A 177 12.187 -5.722 -9.398 1.00 0.00 N ATOM 0 H ARG A 177 5.783 -6.521 -7.263 1.00 0.00 H new ATOM 0 HA ARG A 177 6.052 -3.709 -7.333 1.00 0.00 H new ATOM 0 HB2 ARG A 177 7.209 -6.015 -8.544 1.00 0.00 H new ATOM 0 HB3 ARG A 177 6.683 -4.976 -9.854 1.00 0.00 H new ATOM 0 HG2 ARG A 177 7.880 -3.121 -8.260 1.00 0.00 H new ATOM 0 HG3 ARG A 177 8.814 -4.536 -7.815 1.00 0.00 H new ATOM 0 HD2 ARG A 177 8.336 -4.131 -10.738 1.00 0.00 H new ATOM 0 HD3 ARG A 177 9.395 -2.973 -9.957 1.00 0.00 H new ATOM 0 HE ARG A 177 9.961 -5.787 -10.501 1.00 0.00 H new ATOM 0 HH11 ARG A 177 10.735 -3.008 -8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 177 12.345 -3.613 -8.051 1.00 0.00 H new ATOM 0 HH21 ARG A 177 12.027 -6.549 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 177 13.073 -5.607 -8.905 1.00 0.00 H new ATOM 411 N GLY A 178 4.434 -2.764 -8.941 1.00 0.00 N ATOM 412 CA GLY A 178 3.390 -2.205 -9.778 1.00 0.00 C ATOM 413 C GLY A 178 2.011 -2.714 -9.408 1.00 0.00 C ATOM 414 O GLY A 178 1.075 -2.625 -10.203 1.00 0.00 O ATOM 0 H GLY A 178 4.981 -2.077 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 178 3.406 -1.118 -9.696 1.00 0.00 H new ATOM 0 HA3 GLY A 178 3.596 -2.449 -10.820 1.00 0.00 H new ATOM 418 N ASP A 179 1.883 -3.245 -8.196 1.00 0.00 N ATOM 419 CA ASP A 179 0.612 -3.767 -7.723 1.00 0.00 C ATOM 420 C ASP A 179 -0.282 -2.640 -7.215 1.00 0.00 C ATOM 421 O ASP A 179 0.060 -1.946 -6.259 1.00 0.00 O ATOM 422 CB ASP A 179 0.845 -4.791 -6.609 1.00 0.00 C ATOM 423 CG ASP A 179 -0.445 -5.420 -6.116 1.00 0.00 C ATOM 424 OD1 ASP A 179 -1.501 -5.169 -6.732 1.00 0.00 O ATOM 425 OD2 ASP A 179 -0.395 -6.162 -5.112 1.00 0.00 O ATOM 0 H ASP A 179 2.647 -3.324 -7.525 1.00 0.00 H new ATOM 0 HA ASP A 179 0.111 -4.255 -8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 179 1.511 -5.574 -6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 179 1.351 -4.306 -5.774 1.00 0.00 H new ATOM 430 N VAL A 180 -1.431 -2.463 -7.862 1.00 0.00 N ATOM 431 CA VAL A 180 -2.370 -1.421 -7.470 1.00 0.00 C ATOM 432 C VAL A 180 -3.006 -1.752 -6.124 1.00 0.00 C ATOM 433 O VAL A 180 -4.016 -2.449 -6.057 1.00 0.00 O ATOM 434 CB VAL A 180 -3.479 -1.235 -8.521 1.00 0.00 C ATOM 435 CG1 VAL A 180 -4.372 -0.059 -8.159 1.00 0.00 C ATOM 436 CG2 VAL A 180 -2.876 -1.046 -9.906 1.00 0.00 C ATOM 0 H VAL A 180 -1.732 -3.027 -8.657 1.00 0.00 H new ATOM 0 HA VAL A 180 -1.806 -0.492 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 180 -4.093 -2.136 -8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 180 -5.149 0.054 -8.915 1.00 0.00 H new ATOM 0 HG12 VAL A 180 -4.834 -0.238 -7.188 1.00 0.00 H new ATOM 0 HG13 VAL A 180 -3.774 0.851 -8.114 1.00 0.00 H new ATOM 0 HG21 VAL A 180 -3.675 -0.916 -10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 180 -2.236 -0.163 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 180 -2.284 -1.923 -10.168 1.00 0.00 H new ATOM 446 N ILE A 181 -2.397 -1.253 -5.053 1.00 0.00 N ATOM 447 CA ILE A 181 -2.894 -1.503 -3.706 1.00 0.00 C ATOM 448 C ILE A 181 -3.850 -0.403 -3.255 1.00 0.00 C ATOM 449 O ILE A 181 -3.502 0.778 -3.263 1.00 0.00 O ATOM 450 CB ILE A 181 -1.736 -1.607 -2.693 1.00 0.00 C ATOM 451 CG1 ILE A 181 -0.673 -2.588 -3.198 1.00 0.00 C ATOM 452 CG2 ILE A 181 -2.257 -2.035 -1.330 1.00 0.00 C ATOM 453 CD1 ILE A 181 0.738 -2.053 -3.092 1.00 0.00 C ATOM 0 H ILE A 181 -1.559 -0.673 -5.092 1.00 0.00 H new ATOM 0 HA ILE A 181 -3.429 -2.452 -3.739 1.00 0.00 H new ATOM 0 HB ILE A 181 -1.276 -0.624 -2.589 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -0.746 -3.515 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -0.883 -2.835 -4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -1.426 -2.103 -0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -2.978 -1.301 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -2.741 -3.008 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 181 1.439 -2.799 -3.467 1.00 0.00 H new ATOM 0 HD12 ILE A 181 0.827 -1.142 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 181 0.966 -1.832 -2.049 1.00 0.00 H new ATOM 465 N THR A 182 -5.054 -0.801 -2.854 1.00 0.00 N ATOM 466 CA THR A 182 -6.055 0.151 -2.390 1.00 0.00 C ATOM 467 C THR A 182 -5.646 0.737 -1.045 1.00 0.00 C ATOM 468 O THR A 182 -5.825 0.109 0.000 1.00 0.00 O ATOM 469 CB THR A 182 -7.421 -0.528 -2.274 1.00 0.00 C ATOM 470 OG1 THR A 182 -7.583 -1.507 -3.283 1.00 0.00 O ATOM 471 CG2 THR A 182 -8.581 0.440 -2.384 1.00 0.00 C ATOM 0 H THR A 182 -5.359 -1.774 -2.841 1.00 0.00 H new ATOM 0 HA THR A 182 -6.126 0.960 -3.117 1.00 0.00 H new ATOM 0 HB THR A 182 -7.436 -0.979 -1.282 1.00 0.00 H new ATOM 0 HG1 THR A 182 -8.462 -1.930 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 182 -9.520 -0.106 -2.294 1.00 0.00 H new ATOM 0 HG22 THR A 182 -8.514 1.181 -1.587 1.00 0.00 H new ATOM 0 HG23 THR A 182 -8.545 0.943 -3.351 1.00 0.00 H new ATOM 479 N LEU A 183 -5.087 1.942 -1.077 1.00 0.00 N ATOM 480 CA LEU A 183 -4.638 2.616 0.137 1.00 0.00 C ATOM 481 C LEU A 183 -5.721 2.617 1.212 1.00 0.00 C ATOM 482 O LEU A 183 -6.809 3.155 1.011 1.00 0.00 O ATOM 483 CB LEU A 183 -4.222 4.050 -0.175 1.00 0.00 C ATOM 484 CG LEU A 183 -3.560 4.793 0.984 1.00 0.00 C ATOM 485 CD1 LEU A 183 -2.317 4.051 1.453 1.00 0.00 C ATOM 486 CD2 LEU A 183 -3.215 6.215 0.578 1.00 0.00 C ATOM 0 H LEU A 183 -4.933 2.474 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 183 -3.780 2.064 0.520 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -3.534 4.038 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.104 4.609 -0.490 1.00 0.00 H new ATOM 0 HG LEU A 183 -4.266 4.836 1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -1.859 4.595 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -2.594 3.051 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -1.606 3.975 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.744 6.729 1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -2.528 6.195 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -4.125 6.743 0.294 1.00 0.00 H new ATOM 498 N ILE A 184 -5.408 2.015 2.355 1.00 0.00 N ATOM 499 CA ILE A 184 -6.350 1.953 3.464 1.00 0.00 C ATOM 500 C ILE A 184 -6.140 3.105 4.447 1.00 0.00 C ATOM 501 O ILE A 184 -7.106 3.678 4.949 1.00 0.00 O ATOM 502 CB ILE A 184 -6.237 0.627 4.243 1.00 0.00 C ATOM 503 CG1 ILE A 184 -6.148 -0.567 3.292 1.00 0.00 C ATOM 504 CG2 ILE A 184 -7.418 0.468 5.188 1.00 0.00 C ATOM 505 CD1 ILE A 184 -5.656 -1.828 3.966 1.00 0.00 C ATOM 0 H ILE A 184 -4.511 1.564 2.536 1.00 0.00 H new ATOM 0 HA ILE A 184 -7.341 2.027 3.017 1.00 0.00 H new ATOM 0 HB ILE A 184 -5.319 0.657 4.830 1.00 0.00 H new ATOM 0 HG12 ILE A 184 -7.131 -0.753 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 184 -5.479 -0.318 2.468 1.00 0.00 H new ATOM 0 HG21 ILE A 184 -7.325 -0.472 5.731 1.00 0.00 H new ATOM 0 HG22 ILE A 184 -7.431 1.297 5.896 1.00 0.00 H new ATOM 0 HG23 ILE A 184 -8.345 0.466 4.615 1.00 0.00 H new ATOM 0 HD11 ILE A 184 -5.615 -2.638 3.238 1.00 0.00 H new ATOM 0 HD12 ILE A 184 -4.660 -1.657 4.375 1.00 0.00 H new ATOM 0 HD13 ILE A 184 -6.337 -2.099 4.772 1.00 0.00 H new ATOM 517 N ASN A 185 -4.879 3.429 4.737 1.00 0.00 N ATOM 518 CA ASN A 185 -4.577 4.503 5.684 1.00 0.00 C ATOM 519 C ASN A 185 -3.349 5.311 5.287 1.00 0.00 C ATOM 520 O ASN A 185 -2.487 4.844 4.541 1.00 0.00 O ATOM 521 CB ASN A 185 -4.365 3.927 7.090 1.00 0.00 C ATOM 522 CG ASN A 185 -5.473 4.310 8.045 1.00 0.00 C ATOM 523 OD1 ASN A 185 -5.236 4.589 9.220 1.00 0.00 O ATOM 524 ND2 ASN A 185 -6.693 4.324 7.536 1.00 0.00 N ATOM 0 H ASN A 185 -4.061 2.970 4.336 1.00 0.00 H new ATOM 0 HA ASN A 185 -5.435 5.175 5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 185 -4.302 2.841 7.028 1.00 0.00 H new ATOM 0 HB3 ASN A 185 -3.412 4.280 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 185 -7.488 4.574 8.124 1.00 0.00 H new ATOM 0 HD22 ASN A 185 -6.839 4.085 6.555 1.00 0.00 H new ATOM 531 N LYS A 186 -3.274 6.526 5.826 1.00 0.00 N ATOM 532 CA LYS A 186 -2.155 7.423 5.581 1.00 0.00 C ATOM 533 C LYS A 186 -1.741 8.129 6.872 1.00 0.00 C ATOM 534 O LYS A 186 -1.029 9.132 6.841 1.00 0.00 O ATOM 535 CB LYS A 186 -2.510 8.462 4.523 1.00 0.00 C ATOM 536 CG LYS A 186 -2.020 8.087 3.141 1.00 0.00 C ATOM 537 CD LYS A 186 -1.824 9.313 2.271 1.00 0.00 C ATOM 538 CE LYS A 186 -2.377 9.079 0.882 1.00 0.00 C ATOM 539 NZ LYS A 186 -2.360 10.315 0.053 1.00 0.00 N ATOM 0 H LYS A 186 -3.988 6.913 6.443 1.00 0.00 H new ATOM 0 HA LYS A 186 -1.321 6.822 5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 186 -3.592 8.591 4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 186 -2.081 9.423 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 186 -1.079 7.543 3.222 1.00 0.00 H new ATOM 0 HG3 LYS A 186 -2.737 7.415 2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 186 -2.320 10.170 2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 186 -0.763 9.555 2.209 1.00 0.00 H new ATOM 0 HE2 LYS A 186 -1.793 8.303 0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 186 -3.399 8.709 0.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 186 -3.218 10.351 -0.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 186 -2.329 11.149 0.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 186 -1.521 10.310 -0.561 1.00 0.00 H new ATOM 553 N ASP A 187 -2.205 7.604 8.008 1.00 0.00 N ATOM 554 CA ASP A 187 -1.894 8.191 9.310 1.00 0.00 C ATOM 555 C ASP A 187 -0.398 8.444 9.460 1.00 0.00 C ATOM 556 O ASP A 187 0.018 9.441 10.052 1.00 0.00 O ATOM 557 CB ASP A 187 -2.379 7.271 10.434 1.00 0.00 C ATOM 558 CG ASP A 187 -2.241 7.908 11.802 1.00 0.00 C ATOM 559 OD1 ASP A 187 -1.096 8.036 12.285 1.00 0.00 O ATOM 560 OD2 ASP A 187 -3.278 8.280 12.391 1.00 0.00 O ATOM 0 H ASP A 187 -2.797 6.774 8.051 1.00 0.00 H new ATOM 0 HA ASP A 187 -2.411 9.148 9.377 1.00 0.00 H new ATOM 0 HB2 ASP A 187 -3.423 7.010 10.261 1.00 0.00 H new ATOM 0 HB3 ASP A 187 -1.810 6.342 10.410 1.00 0.00 H new ATOM 565 N ASP A 188 0.403 7.538 8.917 1.00 0.00 N ATOM 566 CA ASP A 188 1.855 7.665 8.986 1.00 0.00 C ATOM 567 C ASP A 188 2.426 8.045 7.623 1.00 0.00 C ATOM 568 O ASP A 188 2.488 7.218 6.715 1.00 0.00 O ATOM 569 CB ASP A 188 2.478 6.355 9.475 1.00 0.00 C ATOM 570 CG ASP A 188 3.659 6.587 10.397 1.00 0.00 C ATOM 571 OD1 ASP A 188 3.433 6.826 11.601 1.00 0.00 O ATOM 572 OD2 ASP A 188 4.810 6.529 9.914 1.00 0.00 O ATOM 0 H ASP A 188 0.074 6.708 8.424 1.00 0.00 H new ATOM 0 HA ASP A 188 2.099 8.456 9.695 1.00 0.00 H new ATOM 0 HB2 ASP A 188 1.722 5.769 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 188 2.801 5.766 8.616 1.00 0.00 H new ATOM 577 N PRO A 189 2.854 9.314 7.456 1.00 0.00 N ATOM 578 CA PRO A 189 3.416 9.802 6.193 1.00 0.00 C ATOM 579 C PRO A 189 4.380 8.811 5.549 1.00 0.00 C ATOM 580 O PRO A 189 4.527 8.783 4.326 1.00 0.00 O ATOM 581 CB PRO A 189 4.156 11.068 6.621 1.00 0.00 C ATOM 582 CG PRO A 189 3.371 11.583 7.779 1.00 0.00 C ATOM 583 CD PRO A 189 2.816 10.373 8.486 1.00 0.00 C ATOM 0 HA PRO A 189 2.647 9.964 5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 189 5.186 10.850 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 189 4.196 11.798 5.812 1.00 0.00 H new ATOM 0 HG2 PRO A 189 4.003 12.168 8.447 1.00 0.00 H new ATOM 0 HG3 PRO A 189 2.568 12.239 7.443 1.00 0.00 H new ATOM 0 HD2 PRO A 189 3.417 10.107 9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 189 1.801 10.548 8.842 1.00 0.00 H new ATOM 591 N ASN A 190 5.035 8.001 6.373 1.00 0.00 N ATOM 592 CA ASN A 190 5.985 7.014 5.874 1.00 0.00 C ATOM 593 C ASN A 190 5.336 5.639 5.750 1.00 0.00 C ATOM 594 O ASN A 190 5.613 4.896 4.810 1.00 0.00 O ATOM 595 CB ASN A 190 7.199 6.928 6.798 1.00 0.00 C ATOM 596 CG ASN A 190 8.237 7.984 6.482 1.00 0.00 C ATOM 597 OD1 ASN A 190 8.411 8.947 7.229 1.00 0.00 O ATOM 598 ND2 ASN A 190 8.934 7.807 5.367 1.00 0.00 N ATOM 0 H ASN A 190 4.926 8.008 7.387 1.00 0.00 H new ATOM 0 HA ASN A 190 6.308 7.335 4.884 1.00 0.00 H new ATOM 0 HB2 ASN A 190 6.874 7.039 7.833 1.00 0.00 H new ATOM 0 HB3 ASN A 190 7.651 5.940 6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 190 9.648 8.484 5.099 1.00 0.00 H new ATOM 0 HD22 ASN A 190 8.756 6.994 4.778 1.00 0.00 H new ATOM 605 N TRP A 191 4.484 5.304 6.710 1.00 0.00 N ATOM 606 CA TRP A 191 3.809 4.010 6.713 1.00 0.00 C ATOM 607 C TRP A 191 2.316 4.152 6.430 1.00 0.00 C ATOM 608 O TRP A 191 1.552 4.615 7.277 1.00 0.00 O ATOM 609 CB TRP A 191 4.023 3.308 8.052 1.00 0.00 C ATOM 610 CG TRP A 191 5.336 2.594 8.141 1.00 0.00 C ATOM 611 CD1 TRP A 191 6.576 3.165 8.189 1.00 0.00 C ATOM 612 CD2 TRP A 191 5.543 1.177 8.185 1.00 0.00 C ATOM 613 NE1 TRP A 191 7.542 2.190 8.262 1.00 0.00 N ATOM 614 CE2 TRP A 191 6.933 0.962 8.262 1.00 0.00 C ATOM 615 CE3 TRP A 191 4.691 0.072 8.172 1.00 0.00 C ATOM 616 CZ2 TRP A 191 7.487 -0.314 8.321 1.00 0.00 C ATOM 617 CZ3 TRP A 191 5.240 -1.195 8.231 1.00 0.00 C ATOM 618 CH2 TRP A 191 6.627 -1.378 8.305 1.00 0.00 C ATOM 0 H TRP A 191 4.243 5.908 7.496 1.00 0.00 H new ATOM 0 HA TRP A 191 4.244 3.408 5.915 1.00 0.00 H new ATOM 0 HB2 TRP A 191 3.962 4.043 8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 191 3.216 2.593 8.213 1.00 0.00 H new ATOM 0 HD1 TRP A 191 6.769 4.227 8.172 1.00 0.00 H new ATOM 0 HE1 TRP A 191 8.548 2.354 8.309 1.00 0.00 H new ATOM 0 HE3 TRP A 191 3.621 0.205 8.117 1.00 0.00 H new ATOM 0 HZ2 TRP A 191 8.556 -0.459 8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 191 4.590 -2.057 8.220 1.00 0.00 H new ATOM 0 HH2 TRP A 191 7.026 -2.381 8.350 1.00 0.00 H new ATOM 629 N TRP A 192 1.910 3.737 5.237 1.00 0.00 N ATOM 630 CA TRP A 192 0.509 3.798 4.836 1.00 0.00 C ATOM 631 C TRP A 192 -0.088 2.397 4.788 1.00 0.00 C ATOM 632 O TRP A 192 0.615 1.431 4.490 1.00 0.00 O ATOM 633 CB TRP A 192 0.376 4.442 3.455 1.00 0.00 C ATOM 634 CG TRP A 192 0.752 5.890 3.411 1.00 0.00 C ATOM 635 CD1 TRP A 192 0.924 6.729 4.472 1.00 0.00 C ATOM 636 CD2 TRP A 192 0.998 6.670 2.236 1.00 0.00 C ATOM 637 NE1 TRP A 192 1.258 7.986 4.026 1.00 0.00 N ATOM 638 CE2 TRP A 192 1.314 7.973 2.659 1.00 0.00 C ATOM 639 CE3 TRP A 192 0.981 6.391 0.865 1.00 0.00 C ATOM 640 CZ2 TRP A 192 1.612 8.993 1.762 1.00 0.00 C ATOM 641 CZ3 TRP A 192 1.278 7.405 -0.024 1.00 0.00 C ATOM 642 CH2 TRP A 192 1.591 8.693 0.426 1.00 0.00 C ATOM 0 H TRP A 192 2.533 3.353 4.527 1.00 0.00 H new ATOM 0 HA TRP A 192 -0.027 4.399 5.570 1.00 0.00 H new ATOM 0 HB2 TRP A 192 1.002 3.895 2.750 1.00 0.00 H new ATOM 0 HB3 TRP A 192 -0.654 4.336 3.115 1.00 0.00 H new ATOM 0 HD1 TRP A 192 0.814 6.448 5.509 1.00 0.00 H new ATOM 0 HE1 TRP A 192 1.435 8.797 4.618 1.00 0.00 H new ATOM 0 HE3 TRP A 192 0.740 5.400 0.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 192 1.852 9.988 2.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 192 1.269 7.201 -1.084 1.00 0.00 H new ATOM 0 HH2 TRP A 192 1.820 9.465 -0.294 1.00 0.00 H new ATOM 653 N GLU A 193 -1.385 2.281 5.059 1.00 0.00 N ATOM 654 CA GLU A 193 -2.041 0.981 5.011 1.00 0.00 C ATOM 655 C GLU A 193 -2.575 0.738 3.606 1.00 0.00 C ATOM 656 O GLU A 193 -2.933 1.682 2.905 1.00 0.00 O ATOM 657 CB GLU A 193 -3.169 0.905 6.039 1.00 0.00 C ATOM 658 CG GLU A 193 -3.682 -0.507 6.275 1.00 0.00 C ATOM 659 CD GLU A 193 -3.279 -1.058 7.628 1.00 0.00 C ATOM 660 OE1 GLU A 193 -3.305 -0.291 8.613 1.00 0.00 O ATOM 661 OE2 GLU A 193 -2.935 -2.256 7.703 1.00 0.00 O ATOM 0 H GLU A 193 -1.994 3.060 5.310 1.00 0.00 H new ATOM 0 HA GLU A 193 -1.316 0.205 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 193 -2.816 1.317 6.984 1.00 0.00 H new ATOM 0 HB3 GLU A 193 -3.996 1.532 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 193 -4.769 -0.512 6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 193 -3.301 -1.163 5.492 1.00 0.00 H new ATOM 668 N GLY A 194 -2.617 -0.520 3.187 1.00 0.00 N ATOM 669 CA GLY A 194 -3.099 -0.826 1.851 1.00 0.00 C ATOM 670 C GLY A 194 -3.785 -2.171 1.755 1.00 0.00 C ATOM 671 O GLY A 194 -3.551 -3.060 2.575 1.00 0.00 O ATOM 0 H GLY A 194 -2.330 -1.327 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 194 -3.795 -0.048 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 194 -2.260 -0.804 1.156 1.00 0.00 H new ATOM 675 N GLN A 195 -4.639 -2.319 0.746 1.00 0.00 N ATOM 676 CA GLN A 195 -5.372 -3.558 0.533 1.00 0.00 C ATOM 677 C GLN A 195 -4.878 -4.287 -0.711 1.00 0.00 C ATOM 678 O GLN A 195 -4.437 -3.664 -1.675 1.00 0.00 O ATOM 679 CB GLN A 195 -6.862 -3.270 0.405 1.00 0.00 C ATOM 680 CG GLN A 195 -7.733 -4.517 0.446 1.00 0.00 C ATOM 681 CD GLN A 195 -9.024 -4.349 -0.331 1.00 0.00 C ATOM 682 OE1 GLN A 195 -9.010 -3.988 -1.508 1.00 0.00 O ATOM 683 NE2 GLN A 195 -10.149 -4.612 0.324 1.00 0.00 N ATOM 0 H GLN A 195 -4.839 -1.590 0.061 1.00 0.00 H new ATOM 0 HA GLN A 195 -5.200 -4.201 1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 195 -7.164 -2.600 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 195 -7.042 -2.743 -0.532 1.00 0.00 H new ATOM 0 HG2 GLN A 195 -7.175 -5.360 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 195 -7.966 -4.760 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 195 -10.114 -4.909 1.299 1.00 0.00 H new ATOM 0 HE22 GLN A 195 -11.048 -4.517 -0.148 1.00 0.00 H new ATOM 692 N LEU A 196 -4.963 -5.612 -0.680 1.00 0.00 N ATOM 693 CA LEU A 196 -4.533 -6.437 -1.801 1.00 0.00 C ATOM 694 C LEU A 196 -5.166 -7.822 -1.719 1.00 0.00 C ATOM 695 O LEU A 196 -4.728 -8.671 -0.946 1.00 0.00 O ATOM 696 CB LEU A 196 -3.005 -6.556 -1.825 1.00 0.00 C ATOM 697 CG LEU A 196 -2.350 -6.241 -3.171 1.00 0.00 C ATOM 698 CD1 LEU A 196 -2.731 -7.282 -4.210 1.00 0.00 C ATOM 699 CD2 LEU A 196 -2.743 -4.848 -3.643 1.00 0.00 C ATOM 0 H LEU A 196 -5.328 -6.139 0.113 1.00 0.00 H new ATOM 0 HA LEU A 196 -4.860 -5.958 -2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 196 -2.592 -5.885 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 196 -2.731 -7.570 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 196 -1.268 -6.269 -3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 196 -2.255 -7.039 -5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 196 -2.399 -8.266 -3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 196 -3.813 -7.289 -4.338 1.00 0.00 H new ATOM 0 HD21 LEU A 196 -2.268 -4.641 -4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 196 -3.826 -4.794 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 196 -2.417 -4.110 -2.910 1.00 0.00 H new ATOM 711 N ASN A 197 -6.208 -8.038 -2.519 1.00 0.00 N ATOM 712 CA ASN A 197 -6.920 -9.314 -2.541 1.00 0.00 C ATOM 713 C ASN A 197 -7.870 -9.429 -1.352 1.00 0.00 C ATOM 714 O ASN A 197 -8.123 -10.525 -0.853 1.00 0.00 O ATOM 715 CB ASN A 197 -5.934 -10.489 -2.540 1.00 0.00 C ATOM 716 CG ASN A 197 -6.459 -11.685 -3.311 1.00 0.00 C ATOM 717 OD1 ASN A 197 -7.099 -12.570 -2.744 1.00 0.00 O ATOM 718 ND2 ASN A 197 -6.190 -11.716 -4.609 1.00 0.00 N ATOM 0 H ASN A 197 -6.580 -7.341 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 197 -7.506 -9.351 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 197 -4.988 -10.166 -2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 197 -5.727 -10.785 -1.512 1.00 0.00 H new ATOM 0 HD21 ASN A 197 -6.517 -12.496 -5.179 1.00 0.00 H new ATOM 0 HD22 ASN A 197 -5.656 -10.960 -5.037 1.00 0.00 H new ATOM 725 N ASN A 198 -8.395 -8.286 -0.910 1.00 0.00 N ATOM 726 CA ASN A 198 -9.324 -8.229 0.215 1.00 0.00 C ATOM 727 C ASN A 198 -8.584 -8.249 1.549 1.00 0.00 C ATOM 728 O ASN A 198 -9.207 -8.307 2.608 1.00 0.00 O ATOM 729 CB ASN A 198 -10.329 -9.385 0.158 1.00 0.00 C ATOM 730 CG ASN A 198 -10.859 -9.624 -1.243 1.00 0.00 C ATOM 731 OD1 ASN A 198 -11.250 -8.689 -1.939 1.00 0.00 O ATOM 732 ND2 ASN A 198 -10.872 -10.886 -1.661 1.00 0.00 N ATOM 0 H ASN A 198 -8.188 -7.376 -1.322 1.00 0.00 H new ATOM 0 HA ASN A 198 -9.868 -7.288 0.137 1.00 0.00 H new ATOM 0 HB2 ASN A 198 -9.853 -10.295 0.523 1.00 0.00 H new ATOM 0 HB3 ASN A 198 -11.163 -9.171 0.827 1.00 0.00 H new ATOM 0 HD21 ASN A 198 -11.217 -11.111 -2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 198 -10.537 -11.630 -1.048 1.00 0.00 H new ATOM 739 N ARG A 199 -7.256 -8.200 1.496 1.00 0.00 N ATOM 740 CA ARG A 199 -6.454 -8.211 2.703 1.00 0.00 C ATOM 741 C ARG A 199 -6.082 -6.791 3.127 1.00 0.00 C ATOM 742 O ARG A 199 -6.272 -5.840 2.373 1.00 0.00 O ATOM 743 CB ARG A 199 -5.198 -9.056 2.485 1.00 0.00 C ATOM 744 CG ARG A 199 -4.107 -8.357 1.687 1.00 0.00 C ATOM 745 CD ARG A 199 -3.004 -7.827 2.590 1.00 0.00 C ATOM 746 NE ARG A 199 -2.550 -8.828 3.551 1.00 0.00 N ATOM 747 CZ ARG A 199 -1.837 -9.903 3.222 1.00 0.00 C ATOM 748 NH1 ARG A 199 -1.491 -10.118 1.959 1.00 0.00 N ATOM 749 NH2 ARG A 199 -1.468 -10.767 4.159 1.00 0.00 N ATOM 0 H ARG A 199 -6.719 -8.153 0.630 1.00 0.00 H new ATOM 0 HA ARG A 199 -7.043 -8.654 3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 199 -4.795 -9.344 3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 199 -5.477 -9.975 1.970 1.00 0.00 H new ATOM 0 HG2 ARG A 199 -3.682 -9.053 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 199 -4.541 -7.533 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 199 -2.161 -7.503 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 199 -3.365 -6.949 3.126 1.00 0.00 H new ATOM 0 HE ARG A 199 -2.794 -8.696 4.533 1.00 0.00 H new ATOM 0 HH11 ARG A 199 -1.771 -9.458 1.234 1.00 0.00 H new ATOM 0 HH12 ARG A 199 -0.945 -10.944 1.713 1.00 0.00 H new ATOM 0 HH21 ARG A 199 -1.731 -10.608 5.132 1.00 0.00 H new ATOM 0 HH22 ARG A 199 -0.922 -11.591 3.907 1.00 0.00 H new ATOM 763 N ARG A 200 -5.556 -6.659 4.340 1.00 0.00 N ATOM 764 CA ARG A 200 -5.160 -5.363 4.869 1.00 0.00 C ATOM 765 C ARG A 200 -3.754 -5.429 5.455 1.00 0.00 C ATOM 766 O ARG A 200 -3.320 -6.482 5.921 1.00 0.00 O ATOM 767 CB ARG A 200 -6.148 -4.918 5.944 1.00 0.00 C ATOM 768 CG ARG A 200 -7.293 -4.070 5.413 1.00 0.00 C ATOM 769 CD ARG A 200 -8.631 -4.776 5.567 1.00 0.00 C ATOM 770 NE ARG A 200 -9.686 -4.123 4.794 1.00 0.00 N ATOM 771 CZ ARG A 200 -10.970 -4.473 4.848 1.00 0.00 C ATOM 772 NH1 ARG A 200 -11.360 -5.469 5.637 1.00 0.00 N ATOM 773 NH2 ARG A 200 -11.865 -3.829 4.114 1.00 0.00 N ATOM 0 H ARG A 200 -5.394 -7.439 4.977 1.00 0.00 H new ATOM 0 HA ARG A 200 -5.163 -4.640 4.053 1.00 0.00 H new ATOM 0 HB2 ARG A 200 -6.559 -5.801 6.434 1.00 0.00 H new ATOM 0 HB3 ARG A 200 -5.611 -4.352 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 200 -7.319 -3.119 5.945 1.00 0.00 H new ATOM 0 HG3 ARG A 200 -7.120 -3.842 4.361 1.00 0.00 H new ATOM 0 HD2 ARG A 200 -8.533 -5.813 5.244 1.00 0.00 H new ATOM 0 HD3 ARG A 200 -8.912 -4.795 6.620 1.00 0.00 H new ATOM 0 HE ARG A 200 -9.423 -3.354 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 200 -10.675 -5.969 6.204 1.00 0.00 H new ATOM 0 HH12 ARG A 200 -12.344 -5.734 5.675 1.00 0.00 H new ATOM 0 HH21 ARG A 200 -11.571 -3.064 3.507 1.00 0.00 H new ATOM 0 HH22 ARG A 200 -12.848 -4.098 4.156 1.00 0.00 H new ATOM 787 N GLY A 201 -3.047 -4.304 5.435 1.00 0.00 N ATOM 788 CA GLY A 201 -1.699 -4.283 5.974 1.00 0.00 C ATOM 789 C GLY A 201 -1.027 -2.928 5.849 1.00 0.00 C ATOM 790 O GLY A 201 -1.403 -2.117 5.004 1.00 0.00 O ATOM 0 H GLY A 201 -3.378 -3.415 5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 201 -1.730 -4.570 7.025 1.00 0.00 H new ATOM 0 HA3 GLY A 201 -1.096 -5.030 5.457 1.00 0.00 H new ATOM 794 N ILE A 202 -0.019 -2.689 6.683 1.00 0.00 N ATOM 795 CA ILE A 202 0.718 -1.431 6.654 1.00 0.00 C ATOM 796 C ILE A 202 2.141 -1.646 6.155 1.00 0.00 C ATOM 797 O ILE A 202 2.713 -2.721 6.330 1.00 0.00 O ATOM 798 CB ILE A 202 0.777 -0.765 8.044 1.00 0.00 C ATOM 799 CG1 ILE A 202 1.133 -1.795 9.116 1.00 0.00 C ATOM 800 CG2 ILE A 202 -0.546 -0.087 8.366 1.00 0.00 C ATOM 801 CD1 ILE A 202 1.212 -1.214 10.510 1.00 0.00 C ATOM 0 H ILE A 202 0.306 -3.351 7.388 1.00 0.00 H new ATOM 0 HA ILE A 202 0.181 -0.773 5.971 1.00 0.00 H new ATOM 0 HB ILE A 202 1.556 -0.003 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 202 0.389 -2.591 9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 202 2.091 -2.251 8.866 1.00 0.00 H new ATOM 0 HG21 ILE A 202 -0.487 0.378 9.350 1.00 0.00 H new ATOM 0 HG22 ILE A 202 -0.756 0.676 7.616 1.00 0.00 H new ATOM 0 HG23 ILE A 202 -1.345 -0.828 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 202 1.469 -2.002 11.218 1.00 0.00 H new ATOM 0 HD12 ILE A 202 1.977 -0.438 10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 202 0.248 -0.783 10.780 1.00 0.00 H new ATOM 813 N PHE A 203 2.708 -0.619 5.532 1.00 0.00 N ATOM 814 CA PHE A 203 4.067 -0.706 5.009 1.00 0.00 C ATOM 815 C PHE A 203 4.573 0.663 4.562 1.00 0.00 C ATOM 816 O PHE A 203 3.794 1.600 4.396 1.00 0.00 O ATOM 817 CB PHE A 203 4.117 -1.685 3.835 1.00 0.00 C ATOM 818 CG PHE A 203 3.355 -1.217 2.628 1.00 0.00 C ATOM 819 CD1 PHE A 203 1.990 -0.985 2.699 1.00 0.00 C ATOM 820 CD2 PHE A 203 4.002 -1.016 1.420 1.00 0.00 C ATOM 821 CE1 PHE A 203 1.287 -0.558 1.589 1.00 0.00 C ATOM 822 CE2 PHE A 203 3.303 -0.591 0.308 1.00 0.00 C ATOM 823 CZ PHE A 203 1.945 -0.362 0.391 1.00 0.00 C ATOM 0 H PHE A 203 2.251 0.279 5.377 1.00 0.00 H new ATOM 0 HA PHE A 203 4.714 -1.067 5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 203 5.157 -1.851 3.555 1.00 0.00 H new ATOM 0 HB3 PHE A 203 3.716 -2.646 4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 203 1.470 -1.140 3.633 1.00 0.00 H new ATOM 0 HD2 PHE A 203 5.065 -1.194 1.347 1.00 0.00 H new ATOM 0 HE1 PHE A 203 0.224 -0.378 1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 203 3.820 -0.438 -0.628 1.00 0.00 H new ATOM 0 HZ PHE A 203 1.398 -0.030 -0.479 1.00 0.00 H new ATOM 833 N PRO A 204 5.894 0.793 4.355 1.00 0.00 N ATOM 834 CA PRO A 204 6.503 2.053 3.918 1.00 0.00 C ATOM 835 C PRO A 204 5.925 2.530 2.593 1.00 0.00 C ATOM 836 O PRO A 204 6.197 1.948 1.541 1.00 0.00 O ATOM 837 CB PRO A 204 7.989 1.709 3.763 1.00 0.00 C ATOM 838 CG PRO A 204 8.190 0.488 4.594 1.00 0.00 C ATOM 839 CD PRO A 204 6.898 -0.273 4.522 1.00 0.00 C ATOM 0 HA PRO A 204 6.320 2.862 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 204 8.245 1.523 2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 204 8.622 2.528 4.105 1.00 0.00 H new ATOM 0 HG2 PRO A 204 9.018 -0.111 4.215 1.00 0.00 H new ATOM 0 HG3 PRO A 204 8.432 0.751 5.624 1.00 0.00 H new ATOM 0 HD2 PRO A 204 6.887 -0.972 3.686 1.00 0.00 H new ATOM 0 HD3 PRO A 204 6.722 -0.855 5.426 1.00 0.00 H new ATOM 847 N SER A 205 5.125 3.588 2.646 1.00 0.00 N ATOM 848 CA SER A 205 4.504 4.139 1.446 1.00 0.00 C ATOM 849 C SER A 205 5.556 4.541 0.418 1.00 0.00 C ATOM 850 O SER A 205 5.264 4.645 -0.771 1.00 0.00 O ATOM 851 CB SER A 205 3.632 5.338 1.807 1.00 0.00 C ATOM 852 OG SER A 205 4.171 6.054 2.903 1.00 0.00 O ATOM 0 H SER A 205 4.890 4.082 3.507 1.00 0.00 H new ATOM 0 HA SER A 205 3.877 3.365 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 205 3.545 6.000 0.945 1.00 0.00 H new ATOM 0 HB3 SER A 205 2.626 4.998 2.051 1.00 0.00 H new ATOM 0 HG SER A 205 3.529 6.734 3.197 1.00 0.00 H new ATOM 858 N ASN A 206 6.784 4.757 0.880 1.00 0.00 N ATOM 859 CA ASN A 206 7.875 5.135 -0.010 1.00 0.00 C ATOM 860 C ASN A 206 8.156 4.027 -1.025 1.00 0.00 C ATOM 861 O ASN A 206 8.857 4.245 -2.013 1.00 0.00 O ATOM 862 CB ASN A 206 9.134 5.443 0.798 1.00 0.00 C ATOM 863 CG ASN A 206 9.595 6.871 0.638 1.00 0.00 C ATOM 864 OD1 ASN A 206 8.980 7.663 -0.077 1.00 0.00 O ATOM 865 ND2 ASN A 206 10.686 7.207 1.308 1.00 0.00 N ATOM 0 H ASN A 206 7.047 4.677 1.862 1.00 0.00 H new ATOM 0 HA ASN A 206 7.578 6.031 -0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 206 8.942 5.244 1.852 1.00 0.00 H new ATOM 0 HB3 ASN A 206 9.934 4.771 0.487 1.00 0.00 H new ATOM 0 HD21 ASN A 206 11.051 8.157 1.244 1.00 0.00 H new ATOM 0 HD22 ASN A 206 11.161 6.516 1.888 1.00 0.00 H new ATOM 872 N TYR A 207 7.610 2.837 -0.774 1.00 0.00 N ATOM 873 CA TYR A 207 7.807 1.700 -1.663 1.00 0.00 C ATOM 874 C TYR A 207 6.708 1.621 -2.721 1.00 0.00 C ATOM 875 O TYR A 207 6.477 0.563 -3.303 1.00 0.00 O ATOM 876 CB TYR A 207 7.822 0.405 -0.853 1.00 0.00 C ATOM 877 CG TYR A 207 9.204 -0.181 -0.669 1.00 0.00 C ATOM 878 CD1 TYR A 207 10.094 -0.262 -1.734 1.00 0.00 C ATOM 879 CD2 TYR A 207 9.621 -0.651 0.570 1.00 0.00 C ATOM 880 CE1 TYR A 207 11.357 -0.796 -1.569 1.00 0.00 C ATOM 881 CE2 TYR A 207 10.883 -1.187 0.742 1.00 0.00 C ATOM 882 CZ TYR A 207 11.747 -1.258 -0.330 1.00 0.00 C ATOM 883 OH TYR A 207 13.004 -1.791 -0.163 1.00 0.00 O ATOM 0 H TYR A 207 7.028 2.639 0.040 1.00 0.00 H new ATOM 0 HA TYR A 207 8.763 1.835 -2.170 1.00 0.00 H new ATOM 0 HB2 TYR A 207 7.384 0.595 0.127 1.00 0.00 H new ATOM 0 HB3 TYR A 207 7.188 -0.330 -1.348 1.00 0.00 H new ATOM 0 HD1 TYR A 207 9.793 0.099 -2.706 1.00 0.00 H new ATOM 0 HD2 TYR A 207 8.948 -0.597 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 207 12.036 -0.851 -2.407 1.00 0.00 H new ATOM 0 HE2 TYR A 207 11.191 -1.549 1.712 1.00 0.00 H new ATOM 0 HH TYR A 207 13.120 -2.068 0.770 1.00 0.00 H new ATOM 893 N VAL A 208 6.026 2.736 -2.962 1.00 0.00 N ATOM 894 CA VAL A 208 4.952 2.760 -3.945 1.00 0.00 C ATOM 895 C VAL A 208 4.825 4.130 -4.608 1.00 0.00 C ATOM 896 O VAL A 208 5.684 4.996 -4.445 1.00 0.00 O ATOM 897 CB VAL A 208 3.602 2.371 -3.300 1.00 0.00 C ATOM 898 CG1 VAL A 208 3.763 1.148 -2.412 1.00 0.00 C ATOM 899 CG2 VAL A 208 3.030 3.525 -2.495 1.00 0.00 C ATOM 0 H VAL A 208 6.196 3.626 -2.494 1.00 0.00 H new ATOM 0 HA VAL A 208 5.207 2.028 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 208 2.906 2.132 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 208 2.801 0.891 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 208 4.122 0.310 -3.009 1.00 0.00 H new ATOM 0 HG13 VAL A 208 4.481 1.365 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 208 2.080 3.224 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 208 3.729 3.799 -1.704 1.00 0.00 H new ATOM 0 HG23 VAL A 208 2.870 4.381 -3.150 1.00 0.00 H new ATOM 909 N ALA A 209 3.742 4.314 -5.358 1.00 0.00 N ATOM 910 CA ALA A 209 3.488 5.570 -6.048 1.00 0.00 C ATOM 911 C ALA A 209 2.010 5.695 -6.418 1.00 0.00 C ATOM 912 O ALA A 209 1.513 4.955 -7.266 1.00 0.00 O ATOM 913 CB ALA A 209 4.355 5.672 -7.293 1.00 0.00 C ATOM 0 H ALA A 209 3.024 3.604 -5.502 1.00 0.00 H new ATOM 0 HA ALA A 209 3.743 6.389 -5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 209 4.155 6.616 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 209 5.406 5.628 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA A 209 4.126 4.845 -7.965 1.00 0.00 H new ATOM 919 N PRO A 210 1.283 6.634 -5.782 1.00 0.00 N ATOM 920 CA PRO A 210 -0.146 6.841 -6.049 1.00 0.00 C ATOM 921 C PRO A 210 -0.461 6.887 -7.540 1.00 0.00 C ATOM 922 O PRO A 210 -0.033 7.797 -8.251 1.00 0.00 O ATOM 923 CB PRO A 210 -0.424 8.192 -5.394 1.00 0.00 C ATOM 924 CG PRO A 210 0.544 8.256 -4.265 1.00 0.00 C ATOM 925 CD PRO A 210 1.788 7.561 -4.750 1.00 0.00 C ATOM 0 HA PRO A 210 -0.760 6.028 -5.663 1.00 0.00 H new ATOM 0 HB2 PRO A 210 -0.273 9.013 -6.095 1.00 0.00 H new ATOM 0 HB3 PRO A 210 -1.453 8.259 -5.041 1.00 0.00 H new ATOM 0 HG2 PRO A 210 0.756 9.289 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 210 0.143 7.766 -3.378 1.00 0.00 H new ATOM 0 HD2 PRO A 210 2.508 8.268 -5.163 1.00 0.00 H new ATOM 0 HD3 PRO A 210 2.291 7.028 -3.943 1.00 0.00 H new ATOM 933 N TYR A 211 -1.217 5.896 -8.007 1.00 0.00 N ATOM 934 CA TYR A 211 -1.595 5.815 -9.412 1.00 0.00 C ATOM 935 C TYR A 211 -2.942 6.490 -9.651 1.00 0.00 C ATOM 936 O TYR A 211 -3.022 7.512 -10.331 1.00 0.00 O ATOM 937 CB TYR A 211 -1.656 4.349 -9.854 1.00 0.00 C ATOM 938 CG TYR A 211 -2.075 4.162 -11.294 1.00 0.00 C ATOM 939 CD1 TYR A 211 -1.527 4.941 -12.305 1.00 0.00 C ATOM 940 CD2 TYR A 211 -3.021 3.206 -11.642 1.00 0.00 C ATOM 941 CE1 TYR A 211 -1.909 4.771 -13.623 1.00 0.00 C ATOM 942 CE2 TYR A 211 -3.408 3.031 -12.957 1.00 0.00 C ATOM 943 CZ TYR A 211 -2.848 3.814 -13.945 1.00 0.00 C ATOM 944 OH TYR A 211 -3.231 3.643 -15.253 1.00 0.00 O ATOM 0 H TYR A 211 -1.580 5.137 -7.430 1.00 0.00 H new ATOM 0 HA TYR A 211 -0.841 6.336 -10.002 1.00 0.00 H new ATOM 0 HB2 TYR A 211 -0.676 3.895 -9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 211 -2.354 3.814 -9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 211 -0.791 5.691 -12.058 1.00 0.00 H new ATOM 0 HD2 TYR A 211 -3.461 2.589 -10.872 1.00 0.00 H new ATOM 0 HE1 TYR A 211 -1.474 5.385 -14.397 1.00 0.00 H new ATOM 0 HE2 TYR A 211 -4.146 2.284 -13.210 1.00 0.00 H new ATOM 0 HH TYR A 211 -3.899 2.928 -15.307 1.00 0.00 H new ATOM 954 N ASN A 212 -3.997 5.911 -9.086 1.00 0.00 N ATOM 955 CA ASN A 212 -5.341 6.456 -9.235 1.00 0.00 C ATOM 956 C ASN A 212 -5.707 6.609 -10.708 1.00 0.00 C ATOM 957 O ASN A 212 -6.337 7.590 -11.107 1.00 0.00 O ATOM 958 CB ASN A 212 -5.442 7.803 -8.522 1.00 0.00 C ATOM 959 CG ASN A 212 -6.843 8.384 -8.569 1.00 0.00 C ATOM 960 OD1 ASN A 212 -7.789 7.799 -8.044 1.00 0.00 O ATOM 961 ND2 ASN A 212 -6.980 9.543 -9.202 1.00 0.00 N ATOM 0 H ASN A 212 -3.946 5.064 -8.520 1.00 0.00 H new ATOM 0 HA ASN A 212 -6.046 5.760 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 212 -5.137 7.684 -7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 212 -4.746 8.506 -8.980 1.00 0.00 H new ATOM 0 HD21 ASN A 212 -7.898 9.983 -9.267 1.00 0.00 H new ATOM 0 HD22 ASN A 212 -6.167 9.993 -9.623 1.00 0.00 H new ATOM 968 N SER A 213 -5.307 5.635 -11.517 1.00 0.00 N ATOM 969 CA SER A 213 -5.590 5.658 -12.947 1.00 0.00 C ATOM 970 C SER A 213 -4.998 6.904 -13.598 1.00 0.00 C ATOM 971 O SER A 213 -5.541 7.425 -14.573 1.00 0.00 O ATOM 972 CB SER A 213 -7.098 5.610 -13.190 1.00 0.00 C ATOM 973 OG SER A 213 -7.399 4.926 -14.395 1.00 0.00 O ATOM 0 H SER A 213 -4.784 4.817 -11.206 1.00 0.00 H new ATOM 0 HA SER A 213 -5.128 4.780 -13.398 1.00 0.00 H new ATOM 0 HB2 SER A 213 -7.589 5.113 -12.353 1.00 0.00 H new ATOM 0 HB3 SER A 213 -7.495 6.624 -13.235 1.00 0.00 H new ATOM 0 HG SER A 213 -8.370 4.908 -14.527 1.00 0.00 H new ATOM 979 N ASN A 214 -3.880 7.377 -13.055 1.00 0.00 N ATOM 980 CA ASN A 214 -3.215 8.562 -13.584 1.00 0.00 C ATOM 981 C ASN A 214 -1.842 8.746 -12.946 1.00 0.00 C ATOM 982 O ASN A 214 -1.411 7.841 -12.202 1.00 0.00 O ATOM 983 CB ASN A 214 -4.073 9.805 -13.344 1.00 0.00 C ATOM 984 CG ASN A 214 -3.775 10.914 -14.332 1.00 0.00 C ATOM 985 OD1 ASN A 214 -2.727 10.922 -14.977 1.00 0.00 O ATOM 986 ND2 ASN A 214 -4.699 11.860 -14.459 1.00 0.00 N ATOM 987 OXT ASN A 214 -1.212 9.795 -13.194 1.00 0.00 O ATOM 0 H ASN A 214 -3.416 6.958 -12.249 1.00 0.00 H new ATOM 0 HA ASN A 214 -3.081 8.424 -14.657 1.00 0.00 H new ATOM 0 HB2 ASN A 214 -5.127 9.534 -13.413 1.00 0.00 H new ATOM 0 HB3 ASN A 214 -3.903 10.170 -12.331 1.00 0.00 H new ATOM 0 HD21 ASN A 214 -4.553 12.631 -15.111 1.00 0.00 H new ATOM 0 HD22 ASN A 214 -5.554 11.815 -13.905 1.00 0.00 H new TER 994 ASN A 214